3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+)

C35H34N4Pt — CID 58161825

About 3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+)

3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+) (PubChem CID 58161825) has the molecular formula C35H34N4Pt and a molecular weight of 705.76 g/mol. Its IUPAC name is 3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+).

Molecular Properties

• Compound Name: 3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+)
• PubChem CID: 58161825
• Molecular Formula: C35H34N4Pt
• Molecular Weight: 705.76 g/mol
• Exact Mass: 705.24
• IUPAC Name: 3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+)
• SMILES: [C-]#[N+]c1cc[c-]c(-c2cc(CC(C)C)cc(C(C)(C)c3cc(CC(C)C)cc(-c4[c-]ccc(C#N)c4)n3)n2)c1.[Pt+2]
• InChI: InChI=1S/C35H34N4.Pt/c1-23(2)14-26-17-31(28-11-8-10-25(16-28)22-36)38-33(19-26)35(5,6)34-20-27(15-24(3)4)18-32(39-34)29-12-9-13-30(21-29)37-7;/h8-10,13,16-21,23-24H,14-15H2,1-6H3;/q-2;+2
• InChIKey: MWVHLAANINSXGU-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 53.93 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.76
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+)?

The IUPAC name of 3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+) (CID 58161825) is 3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+).

What is the SMILES notation for 3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+)?

The canonical SMILES for 3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+) is [C-]#[N+]c1cc[c-]c(-c2cc(CC(C)C)cc(C(C)(C)c3cc(CC(C)C)cc(-c4[c-]ccc(C#N)c4)n3)n2)c1.[Pt+2].

What is the InChIKey of 3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+)?

The InChIKey is MWVHLAANINSXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4.Pt/c1-23(2)14-26-17-31(28-11-8-10-25(16-28)22-36)38-33(19-26)35(5,6)34-20-27(15-24(3)4)18-32(39-34)29-12-9-13-30(21-29)37-7;/h8-10,13,16-21,23-24H,14-15H2,1-6H3;/q-2;+2.

What are the key properties of 3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+)?

3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+) has a molecular weight of 705.76 g/mol, XLogP of 8.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+) is sourced from PubChem (CID 58161825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).